1-[(2,3-difluorophenyl)methyl]-5-(3,4-dimethoxyphenyl)pyrazole

C18H16F2N2O2 — CID 11336466

IUPAC1-[(2,3-difluorophenyl)methyl]-5-(3,4-dimethoxyphenyl)pyrazole
SMILESCOc1ccc(-c2ccnn2Cc2cccc(F)c2F)cc1OC
InChIInChI=1S/C18H16F2N2O2/c1-23-16-7-6-12(10-17(16)24-2)15-8-9-21-22(15)11-13-4-3-5-14(19)18(13)20/h3-10H,11H2,1-2H3
InChIKeyPXFXPMUXENZECK-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.89
Rot. Bonds5

About 1-[(2,3-difluorophenyl)methyl]-5-(3,4-dimethoxyphenyl)pyrazole

1-[(2,3-difluorophenyl)methyl]-5-(3,4-dimethoxyphenyl)pyrazole (PubChem CID 11336466) has the molecular formula C18H16F2N2O2 and a molecular weight of 330.33 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-5-(3,4-dimethoxyphenyl)pyrazole.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-5-(3,4-dimethoxyphenyl)pyrazole
PubChem CID11336466
Molecular FormulaC18H16F2N2O2
Molecular Weight330.33 g/mol
Exact Mass330.12
IUPAC Name1-[(2,3-difluorophenyl)methyl]-5-(3,4-dimethoxyphenyl)pyrazole
SMILESCOc1ccc(-c2ccnn2Cc2cccc(F)c2F)cc1OC
InChIInChI=1S/C18H16F2N2O2/c1-23-16-7-6-12(10-17(16)24-2)15-8-9-21-22(15)11-13-4-3-5-14(19)18(13)20/h3-10H,11H2,1-2H3
InChIKeyPXFXPMUXENZECK-UHFFFAOYSA-N
XLogP3.89
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]-5-(3,4-dimethoxyphenyl)pyrazole?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-5-(3,4-dimethoxyphenyl)pyrazole (CID 11336466) is 1-[(2,3-difluorophenyl)methyl]-5-(3,4-dimethoxyphenyl)pyrazole.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-5-(3,4-dimethoxyphenyl)pyrazole?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-5-(3,4-dimethoxyphenyl)pyrazole is COc1ccc(-c2ccnn2Cc2cccc(F)c2F)cc1OC.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-5-(3,4-dimethoxyphenyl)pyrazole?
The InChIKey is PXFXPMUXENZECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O2/c1-23-16-7-6-12(10-17(16)24-2)15-8-9-21-22(15)11-13-4-3-5-14(19)18(13)20/h3-10H,11H2,1-2H3.
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-5-(3,4-dimethoxyphenyl)pyrazole?
1-[(2,3-difluorophenyl)methyl]-5-(3,4-dimethoxyphenyl)pyrazole has a molecular weight of 330.33 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]-5-(3,4-dimethoxyphenyl)pyrazole is sourced from PubChem (CID 11336466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).